1-(aminomethyl)-N-(4-cyclopropyl-1,3-thiazol-2-yl)cyclobutane-1-carboxamide

C12H17N3OS — CID 115448467

IUPAC1-(aminomethyl)-N-(4-cyclopropyl-1,3-thiazol-2-yl)cyclobutane-1-carboxamide
SMILESNCC1(C(=O)Nc2nc(C3CC3)cs2)CCC1
InChIInChI=1S/C12H17N3OS/c13-7-12(4-1-5-12)10(16)15-11-14-9(6-17-11)8-2-3-8/h6,8H,1-5,7,13H2,(H,14,15,16)
InChIKeySGJJTKZZIFFCBM-UHFFFAOYSA-N
MW251.35 g/mol
LogP2.09
Rot. Bonds4

About 1-(aminomethyl)-N-(4-cyclopropyl-1,3-thiazol-2-yl)cyclobutane-1-carboxamide

1-(aminomethyl)-N-(4-cyclopropyl-1,3-thiazol-2-yl)cyclobutane-1-carboxamide (PubChem CID 115448467) has the molecular formula C12H17N3OS and a molecular weight of 251.35 g/mol. Its IUPAC name is 1-(aminomethyl)-N-(4-cyclopropyl-1,3-thiazol-2-yl)cyclobutane-1-carboxamide.

Molecular Properties

Compound Name1-(aminomethyl)-N-(4-cyclopropyl-1,3-thiazol-2-yl)cyclobutane-1-carboxamide
PubChem CID115448467
Molecular FormulaC12H17N3OS
Molecular Weight251.35 g/mol
Exact Mass251.11
IUPAC Name1-(aminomethyl)-N-(4-cyclopropyl-1,3-thiazol-2-yl)cyclobutane-1-carboxamide
SMILESNCC1(C(=O)Nc2nc(C3CC3)cs2)CCC1
InChIInChI=1S/C12H17N3OS/c13-7-12(4-1-5-12)10(16)15-11-14-9(6-17-11)8-2-3-8/h6,8H,1-5,7,13H2,(H,14,15,16)
InChIKeySGJJTKZZIFFCBM-UHFFFAOYSA-N
XLogP2.09
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.35
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(aminomethyl)-N-(4-cyclopropyl-1,3-thiazol-2-yl)oxane-4-carboxamide
CID 115439495
1-amino-N-(4-cyclopropyl-1,3-thiazol-2-yl)cyclohexane-1-carboxamide
CID 54959029
N-(4-cyclopropyl-1,3-thiazol-2-yl)-4-ethylpiperidine-4-carboxamide
CID 63129094
N-(4-cyclopropyl-1,3-thiazol-2-yl)-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride
CID 120623224
1-(4-aminophenyl)-N-(4-cyclopropyl-1,3-thiazol-2-yl)cyclopropane-1-carboxamide
CID 115913567
2-[1-[(4-cyclopropyl-1,3-thiazol-2-yl)carbamoylamino]cyclobutyl]acetic acid
CID 79851054
1-(aminomethyl)-N-(4-tert-butyl-1,3-thiazol-2-yl)-4-methylcyclohexane-1-carboxamide
CID 115441970
N-(4-cyclopropyl-1,3-thiazol-2-yl)-2-propylpyrrolidine-2-carboxamide
CID 106974990
(1S)-2,2-dichloro-N-(4-cyclopropyl-1,3-thiazol-2-yl)cyclopropane-1-carboxamide
CID 33302453
3-amino-4-[(4-cyclopropyl-1,3-thiazol-2-yl)amino]-4-oxobutanoic acid
CID 64894586
4-(aminomethyl)-N-(4-phenyl-1,3-thiazol-2-yl)oxane-4-carboxamide;hydrochloride
CID 120916927
2-[1-[(4-cyclopropyl-1,3-thiazol-2-yl)carbamoylamino]cyclopentyl]acetic acid
CID 64700681

Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-N-(4-cyclopropyl-1,3-thiazol-2-yl)cyclobutane-1-carboxamide?
The IUPAC name of 1-(aminomethyl)-N-(4-cyclopropyl-1,3-thiazol-2-yl)cyclobutane-1-carboxamide (CID 115448467) is 1-(aminomethyl)-N-(4-cyclopropyl-1,3-thiazol-2-yl)cyclobutane-1-carboxamide.
What is the SMILES notation for 1-(aminomethyl)-N-(4-cyclopropyl-1,3-thiazol-2-yl)cyclobutane-1-carboxamide?
The canonical SMILES for 1-(aminomethyl)-N-(4-cyclopropyl-1,3-thiazol-2-yl)cyclobutane-1-carboxamide is NCC1(C(=O)Nc2nc(C3CC3)cs2)CCC1.
What is the InChIKey of 1-(aminomethyl)-N-(4-cyclopropyl-1,3-thiazol-2-yl)cyclobutane-1-carboxamide?
The InChIKey is SGJJTKZZIFFCBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3OS/c13-7-12(4-1-5-12)10(16)15-11-14-9(6-17-11)8-2-3-8/h6,8H,1-5,7,13H2,(H,14,15,16).
What are the key properties of 1-(aminomethyl)-N-(4-cyclopropyl-1,3-thiazol-2-yl)cyclobutane-1-carboxamide?
1-(aminomethyl)-N-(4-cyclopropyl-1,3-thiazol-2-yl)cyclobutane-1-carboxamide has a molecular weight of 251.35 g/mol, XLogP of 2.09, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-N-(4-cyclopropyl-1,3-thiazol-2-yl)cyclobutane-1-carboxamide is sourced from PubChem (CID 115448467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).